Ethyl 3,4-dimethoxybenzoate

Base Information

• Chemical Name: Ethyl 3,4-dimethoxybenzoate
• CAS No.: 3943-77-9
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• European Community (EC) Number: 223-526-4
• DSSTox Substance ID: DTXSID80192598
• Nikkaji Number: J217.779J
• Wikidata: Q72474476
• ChEMBL ID: CHEMBL452433
• Mol file: 3943-77-9.mol

Synonyms:Ethyl 3,4-dimethoxybenzoate;3943-77-9;Ethyl veratrate;Benzoic acid, 3,4-dimethoxy-, ethyl ester;Veratric acid, ethyl ester;3,4-Dimethoxybenzoic acid ethyl ester;EINECS 223-526-4;BRN 3118897;4-10-00-01469 (Beilstein Handbook Reference);Veratrumsaureathylester;Ethyl-3,4-dimethoxybenzoate;Ethyl-3,4-dimethoxy-benzoate;CHEMBL452433;SCHEMBL1660365;DTXSID80192598;3,4-dimethoxy-benzoicaciethylester;MFCD00015150;AKOS003263209;Veratric acid, ethyl ester (7CI,8CI);Ethyl 3,4-dimethoxybenzoate, AldrichCPR;AS-47188;LS-37126;CS-0085109;FT-0626007;EN300-79029;F12527;A824547;Z53836602

Chemical Property of Ethyl 3,4-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 0.00152mmHg at 25°C
• Melting Point: 43-44°C
• Refractive Index: 1.495
• Boiling Point: 295.5 °C at 760 mmHg
• Flash Point: 129.5 °C
• PSA: 44.76000
• Density: 1.095 g/cm³
• LogP: 1.88050
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl3,4-Dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)OC)OC

Technology Process of Ethyl 3,4-dimethoxybenzoate

There total 28 articles about Ethyl 3,4-dimethoxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethanol (64-17-5) + methyl 3,4-dimethoxybenzoate (2150-38-1) → ethyl veratrate (3943-77-9)

Guidance literature:

With platinum(IV) oxide; hydrogen; at 60 ℃; for 14h; under 750.075 - 1500.15 Torr; chemoselective reaction; Autoclave; Green chemistry;

DOI:10.1039/c8gc00500a

Reference yield: 94.5%

Ethyl protocatechuate (3943-89-3) + dimethyl sulfate (77-78-1) → ethyl veratrate (3943-77-9)

Guidance literature:

Ethyl protocatechuate; With potassium carbonate; In acetone; at 20 ℃; for 0.5h;

dimethyl sulfate; at 50 ℃; for 5h;

DOI:10.1002/ardp.201100250

Reference yield: 94.0%

ethanol (64-17-5) + Veratric acid (93-07-2) → ethyl veratrate (3943-77-9)

Guidance literature:

With sulfuric acid;

DOI:10.1002/cjoc.201700240

upstream raw materials:

ethanol

Veratric acid

vesnarinone

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

1-(3,4-dimethoxy-phenyl)-3-(2,3,4-trimethoxy-phenyl)-propane-1,3-dione

1-(3,4-dimethoxyphenyl)-3-phenyl-1,3-propanedione

2-(3,4-Dimethoxy-phenyl)-8,8-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-4-one

8-(3,4-Dimethoxy-phenyl)-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-10-one

Refernces

• 1、 Babu, Bathini Nagendra,Devi, Ganthala Parimala,Kamal, Ahmed,Kumar, C. Ganesh,Rani Routhu, Sunitha,Shareef, Mohd Adil. "New imidazo[2,1-: B] thiazole-based aryl hydrazones: Unravelling their synthesis and antiproliferative and apoptosis-inducing potential". supporting information. p. 1178 - 1184. Retrieved 2020/11/03.
• 2、 Ngwira, Kennedy J.,Kühlborn, Jonas,Mgani, Quintino A.,de Koning, Charles B.,Opatz, Till. "Valorisation of Cashew Nut Shell Liquid Phenolics in the Synthesis of UV Absorbers". . p. 4778 - 4790. Retrieved 2019/08/07.